2-ethoxy-3-(6-fluoro-1-methylbenzimidazol-2-yl)propan-1-amine

C13H18FN3O — CID 114227022

IUPAC2-ethoxy-3-(6-fluoro-1-methylbenzimidazol-2-yl)propan-1-amine
SMILESCCOC(CN)Cc1nc2ccc(F)cc2n1C
InChIInChI=1S/C13H18FN3O/c1-3-18-10(8-15)7-13-16-11-5-4-9(14)6-12(11)17(13)2/h4-6,10H,3,7-8,15H2,1-2H3
InChIKeyWIQFYMNTSVFDRT-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.62
Rot. Bonds5

About 2-ethoxy-3-(6-fluoro-1-methylbenzimidazol-2-yl)propan-1-amine

2-ethoxy-3-(6-fluoro-1-methylbenzimidazol-2-yl)propan-1-amine (PubChem CID 114227022) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-ethoxy-3-(6-fluoro-1-methylbenzimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-ethoxy-3-(6-fluoro-1-methylbenzimidazol-2-yl)propan-1-amine
PubChem CID114227022
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name2-ethoxy-3-(6-fluoro-1-methylbenzimidazol-2-yl)propan-1-amine
SMILESCCOC(CN)Cc1nc2ccc(F)cc2n1C
InChIInChI=1S/C13H18FN3O/c1-3-18-10(8-15)7-13-16-11-5-4-9(14)6-12(11)17(13)2/h4-6,10H,3,7-8,15H2,1-2H3
InChIKeyWIQFYMNTSVFDRT-UHFFFAOYSA-N
XLogP1.62
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6-fluoro-1-methylbenzimidazol-2-yl)methanamine
CID 62377229
2-ethoxy-3-(4-fluoro-1-methylbenzimidazol-2-yl)propan-1-amine
CID 114227019
3-(1-ethyl-6-fluorobenzimidazol-2-yl)-2-methoxypropan-1-amine
CID 103153985
N-ethyl-1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-2-amine
CID 62827798
4-(6-fluoro-1-methylbenzimidazol-2-yl)-3-methylbutanoic acid
CID 62934477
1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-2-one
CID 83857937
ethyl 6-fluoro-1-methylbenzimidazole-2-carboxylate
CID 63357942
2-[(6-fluoro-1-methylbenzimidazol-2-yl)methoxy]acetic acid
CID 62376035
2-(diethoxymethyl)-6-fluoro-1-propylbenzimidazole
CID 63772335
(5-fluoro-1-methylbenzimidazol-2-yl)methanamine
CID 50988488
2-(chloromethyl)-6-fluoro-1-propylbenzimidazole
CID 62378241
3-(6-fluoro-1-methylbenzimidazol-2-yl)butan-1-amine
CID 80539695

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(6-fluoro-1-methylbenzimidazol-2-yl)propan-1-amine?
The IUPAC name of 2-ethoxy-3-(6-fluoro-1-methylbenzimidazol-2-yl)propan-1-amine (CID 114227022) is 2-ethoxy-3-(6-fluoro-1-methylbenzimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 2-ethoxy-3-(6-fluoro-1-methylbenzimidazol-2-yl)propan-1-amine?
The canonical SMILES for 2-ethoxy-3-(6-fluoro-1-methylbenzimidazol-2-yl)propan-1-amine is CCOC(CN)Cc1nc2ccc(F)cc2n1C.
What is the InChIKey of 2-ethoxy-3-(6-fluoro-1-methylbenzimidazol-2-yl)propan-1-amine?
The InChIKey is WIQFYMNTSVFDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-3-18-10(8-15)7-13-16-11-5-4-9(14)6-12(11)17(13)2/h4-6,10H,3,7-8,15H2,1-2H3.
What are the key properties of 2-ethoxy-3-(6-fluoro-1-methylbenzimidazol-2-yl)propan-1-amine?
2-ethoxy-3-(6-fluoro-1-methylbenzimidazol-2-yl)propan-1-amine has a molecular weight of 251.30 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(6-fluoro-1-methylbenzimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 114227022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).